Information card for entry 7005156

Structure parameters

• Formula: C114 H174 Fe6 Li12 N6 O3 P6
• Calculated formula: C102 H146 Fe6 Li12 N6 O3 P6
• Title of publication: Aminoalkylferrocenyldichlorophosphanes: facile synthesis of versatile chiral starting materials.
• Authors of publication: Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1377 - 1382
• a: 16.0644 ± 0.0016 Å
• b: 26.933 ± 0.003 Å
• c: 28.661 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12401 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No